N-[9-(3-methoxy-4-nitro-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]methanesulfonamide

Systemtic Name: N-[9-(3-methoxy-4-nitro-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]methanesulfonamide Openeye Name: N-[9-(3-methoxy-4-nitro-phenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]methanesulfonamide CAS Name: N-[9-(3-methoxy-4-nitrophenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]methanesulfonamide IUPAC Name: N-[9-(3-methoxy-4-nitrophenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]methanesulfonamide Traditional Name: N-[6-keto-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]methanesulfonamide Formula: C21H18N4O6S MolecularWeight: 454.45582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=CC(=C4)NS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=CC(=C4)NS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O6S/c1-31-20-10-13(4-8-19(20)25(27)28)12-3-6-15-17(9-12)22-16-7-5-14(24-32(2,29)30)11-18(16)23-21(15)26/h3-11,22,24H,1-2H3,(H,23,26)